AG00D82J

5462-71-5 | 2-(4-Cyanophenyl)acetic acid

AG00D82J

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CAS Number	5462-71-5
Catalog Number	AG00D82J(AGN-PC-0JLS3U)
Chemical Name	2-(4-Cyanophenyl)acetic acid
EC Number	226-753-7
IUPAC Name	2-(4-cyanophenyl)acetic acid
InChI	InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChI Key	WEBXRQONNWEETE-UHFFFAOYSA-N
MDL Number	MFCD06798066
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
NSC Number	14104
SMILES	C(#N)C1=CC=C(C=C1)CC(=O)O
Synonyms	2-(4-cyanophenyl)acetic acid, 5462-71-5, 4-Cyanophenylacetic acid, (4-Cyanophenyl)acetic acid, Benzeneacetic acid, 4-cyano-, (4-Cyano-phenyl)-acetic acid, p-cyanophenylacetic acid, 4-Cyanobenzeneacetic acid, 4-Cyanophenyl acetic acid, (p-Cyanophenyl)acetic acid, Acetic acid, (p-cyanophenyl)-, 4-Cyanophenylacetic acid, 97%, WEBXRQONNWEETE-UHFFFAOYSA-N, MFCD06798066, 333406-09-0, 4-CYANOPHENYLACETICACID, EINECS 226-753-7, PubChem19712, AC1L2XPI, AC1Q5VIC, 4-cyano-phenylacetic acid, ACMC-1B1ET, 4-cyano phenyl acetic acid, SCHEMBL335492, (4-Cyanophenyl)acetic acid #, AC1Q74X8, CTK3J7987, KS-00000CKD, DTXSID00203054, 4-CYANO-BENZENEACETIC ACID, ACT07221, BCP15472, NSC14104, ZINC1592153, ANW-32133, NSC-14104, AKOS008118611, AM83006, AS06094, CM13684, CS-W004704, FS-3473, MCULE-1048335212, QC-9000, RTX-013187, AC-22906, AJ-27719, AK-59632, BC228621, SC-53352, SY007137, AB0004212, ST2416110, FT-0649787, Z4864, EN300-62024, MFCD06798066 (97%), A24322, M-7010, 462C715, AE-641/00004032, I14-91920, F2167-4980, 2-(4-Cyanophenyl)aceticacid, C9H7NO2, C9-H7-N-O2, KST-1A6065, CID79587, AR-1A5725, ACN-001206, 5636-90-8, 18698-99-2, 4920-80-3,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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